HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Brombenzamid
P-BROMOBENZAMIDE · NSC 404792 · 4-Bromobenzamide · p-bromo-benzamid · Benzamide, 4-bromo- · 4-Bromobenzamide >4-Bromobenzamide,97% · 4-Bromobenzamide 97% · p-bromobenzoicacidamide
Identifikatoren & physikalische Daten
| CAS No. | 698-67-9 |
|---|---|
| Summenformel | C7H6BrNO |
| Durchschnittliche Molmasse | 200,03 g/mol |
| Monoisotopische Masse | 198,96327591 g/mol |
| SMILES | NC(=O)c1ccc(Br)cc1 |
| InChIKey | ZRWNRAJCPNLYAK-UHFFFAOYSA-N |
| PubChem CID | 69683 |
| ChEMBL | CHEMBL339059 |
| EC No. | 211-817-9 |
| DTXSID | DTXSID90220098 |
| Lokaler Name | 4-Brombenzamid |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 130 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 1.75 |
| Schmelzpunkt | 190-193 °C(lit.) |
| Siedepunkt | 309.9±25.0 °C(Predicted) |
| Dichte | 1.5488 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 15.71±0.50(Predicted) |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | White |
| InChI | 1S/C7H6BrNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10) |
| InChIKey | ZRWNRAJCPNLYAK-UHFFFAOYSA-N |
| SMILES | NC(=O)c1ccc(Br)cc1 |
| CAS Datenbank | 698-67-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29242990 |
| RTECS-Nr. | CV2365800 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Bromobenzamide was used in the preparation of (N-benzylpiperidin-4-yl)-4-tri-n-butylstannylbenzamide.